4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine

C16H16FNS — CID 83065951

IUPAC4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSc1ccccc1NC1CCc2c(F)cccc21
InChIInChI=1S/C16H16FNS/c1-19-16-8-3-2-7-15(16)18-14-10-9-11-12(14)5-4-6-13(11)17/h2-8,14,18H,9-10H2,1H3
InChIKeyAAKYQIMAWNURNJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.65
Rot. Bonds3

About 4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine

4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 83065951) has the molecular formula C16H16FNS and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID83065951
Molecular FormulaC16H16FNS
Molecular Weight273.38 g/mol
Exact Mass273.10
IUPAC Name4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
SMILESCSc1ccccc1NC1CCc2c(F)cccc21
InChIInChI=1S/C16H16FNS/c1-19-16-8-3-2-7-15(16)18-14-10-9-11-12(14)5-4-6-13(11)17/h2-8,14,18H,9-10H2,1H3
InChIKeyAAKYQIMAWNURNJ-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine (CID 83065951) is 4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine is CSc1ccccc1NC1CCc2c(F)cccc21.
What is the InChIKey of 4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is AAKYQIMAWNURNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNS/c1-19-16-8-3-2-7-15(16)18-14-10-9-11-12(14)5-4-6-13(11)17/h2-8,14,18H,9-10H2,1H3.
What are the key properties of 4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine?
4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 273.38 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 83065951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).